SCHEMBL8325933

SCHEMBL8325933

O=C1C2Cc3cc4ccccc4n3CC2CN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
DPP4 P27487 2/20 0.36
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL8326773 0.76 HRH3 (0.41) KMT2A
SCHEMBL8326484 0.76 HRH3 (0.41) KMT2A
SCHEMBL8326482 0.76 HRH3 (0.41) KMT2A
SCHEMBL8326486 0.76 HRH3 (0.41) KMT2A
SCHEMBL10262574 0.72 TSHR (0.47) HPGDTSHRDPP4ALDH1A1MEN1
SCHEMBL6508105 0.68 ALDH1A1 (0.59) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL8328027 0.66 HTR2A (0.46) SIGMAR1
SCHEMBL8449826 0.66 MAPT (0.42) TSHRALDH1A1KMT2AMAPTSIGMAR1
SCHEMBL8325787 0.66 HTR2A (0.40) TSHRALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL8327629 0.65 HTR2A (0.45) SIGMAR1

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-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed