SCHEMBL9831447

SCHEMBL9831447

[CH]=Cc1ccc(N(CC)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.38
RELA Q04206 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
TSHR P16473 3/20 0.37
GLA P06280 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
APAF1 O14727 1/20 0.36
CASP3 P42574 1/20 0.36
CASP6 P55212 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
DHFR P00374 2/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL7149333 0.83 NR3C2 (0.60) NR3C2MAPTCRHBPCRHR2NPSR1
SCHEMBL7147228 0.82 ALDH1A1 (0.59) NR3C2MAPTCRHBPCRHR2NPSR1
SCHEMBL7150218 0.82 ALDH1A1 (0.50) NR3C2MAPTCRHBPCRHR2NPSR1
SCHEMBL586572 0.81 ALDH1A1 (0.50) MAPTCRHBPCRHR2NPSR1ALDH1A1
SCHEMBL6567347 0.81 NR3C2 (0.57) NR3C2MAPTCRHBPCRHR2NPSR1
SCHEMBL409370 0.81 NR3C2 (0.57) NR3C2MAPTCRHBPCRHR2NPSR1
SCHEMBL16408145 0.79 NR3C2 (0.56) NR3C2MAPTCRHBPCRHR2NPSR1
Bromide SCHEMBL6737911 0.79 NR3C2 (0.55) NR3C2MAPTCRHBPCRHR2NPSR1
Iodide SCHEMBL31634397 0.79 NR3C2 (0.55) NR3C2MAPTCRHBPCRHR2NPSR1
Hydrochloric Acid SCHEMBL27464725 0.79 NR3C2 (0.55) NR3C2MAPTCRHBPCRHR2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304613-B1 BENZOPYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4958021-A PRESSURE AND HEAT SENSITIVE RECORDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0304613-A1 Benzopyran derivatives BASF Aktiengesellschaft (DE) 1989-03-01 EP disclosed