SCHEMBL11077323

SCHEMBL11077323

Clc1ccc(C=CCn2ccnc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.49
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46
TBXAS1 P24557 5/20 0.46
CYP2C9 P11712 9/20 0.45
CYP3A4 P08684 7/20 0.45
CYP1A2 P05177 6/20 0.45
CYP2D6 P10635 6/20 0.45
CYP2C19 P33261 6/20 0.45
IDO1 P14902 4/20 0.45
LMNA P02545 3/20 0.45
ALOX15 P16050 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 3/20 0.43
NR3C1 P04150 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11079678 1.00 ADRA2C (0.49) ADRA2CCYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL8908887 0.85 ADRA2C (0.51) ADRA2CCYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11078987 0.79 TBXAS1 (0.65) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11078989 0.79 TBXAS1 (0.65) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11635400 0.78 ADRA2C (0.60) ADRA2CCYP19A1TBXAS1CYP2C9CYP3A4
SCHEMBL11635397 0.78 ADRA2C (0.60) ADRA2CCYP19A1TBXAS1CYP2C9CYP3A4
SCHEMBL11635395 0.78 ADRA2C (0.60) ADRA2CCYP19A1TBXAS1CYP2C9CYP3A4
SCHEMBL11146930 0.76 TBXAS1 (0.49) ADRA2CTBXAS1CYP2C9CYP3A4CYP1A2
SCHEMBL11382258 0.76 ITGAL (0.51) ADRA2CCYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11146934 0.76 TBXAS1 (0.49) ADRA2CTBXAS1CYP2C9CYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003732-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1983-10-19 EP claimed
US-4396771-A THROMBOEMBOLIC DISORDERS, SHOCK BURROUGHS WELLCOME CO. (US) 1983-08-02 US claimed
US-4357340-A Imidazole derivatives and angina pectoris BURROUGHS WELLCOME CO. (US) 1982-11-02 US claimed
EP-0003732-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1979-09-05 EP claimed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 US disclosed
US-4425354-A CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1984-01-10 US disclosed
EP-0003732-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1983-10-19 EP disclosed
US-4405634-A Imidazole derivatives for treating myocardial infarction BURROUGHS WELLCOME CO. (US) 1983-09-20 US disclosed
US-4396771-A THROMBOEMBOLIC DISORDERS, SHOCK BURROUGHS WELLCOME CO. (US) 1983-08-02 US disclosed
US-4357340-A Imidazole derivatives and angina pectoris BURROUGHS WELLCOME CO. (US) 1982-11-02 US disclosed
EP-0003732-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1979-09-05 EP disclosed