SCHEMBL6691330

SCHEMBL6691330

O=C1C=CC2(Cc3ccccc3)CNCCN12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ELANE P08246 2/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL5230429 0.69 ELANE (0.39) SIGMAR1HTR2AHTR2CHTR2BELANE
SCHEMBL2870036 0.69 SIGMAR1 (0.36) SIGMAR1HTR2AHTR2CHTR2BELANE
SCHEMBL5231140 0.69 HTR2C (0.38) SIGMAR1HTR2AHTR2CHTR2BELANE
SCHEMBL6695304 0.69 HTR2C (0.38) SIGMAR1HTR2AHTR2CHTR2BELANE
SCHEMBL3861069 0.64 MEN1 (0.43) SIGMAR1HTR2AHTR2CELANECYP2D6
SCHEMBL1190778 0.63 KMT2A (0.45) SIGMAR1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL1191157 0.63 KMT2A (0.45) SIGMAR1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL28964629 0.63 KMT2A (0.45) SIGMAR1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL5787980 0.63 LMNA (0.42) HTR2AHTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL28308469 0.62 SIGMAR1 (0.44) SIGMAR1CYP2D6TSHRCYP3A4SLC6A2

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-1002802-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER PROD INC (US) 2004-12-08 EP disclosed
US-6194578-B1 GROWTH HORMONE SECRETAGOGUES; USEFUL FOR PROPHYLAXIS AND THERAPY OF OSTEOPOROSIS AND/OR FRAILTY, INSULIN RESISTANCE IN MAMMALS, CONGESTIVE HEART FAILURE, OBESITY, ACCELERATING BONE FRACTURE REPAIR REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2001-02-27 US disclosed
EP-1002802-A1 Dipeptide derivatives as growth hormone secretagogues Pfizer Products Inc. (US) 2000-05-24 EP disclosed