SCHEMBL8874906

SCHEMBL8874906

COc1ccccc1C1(O)C(O)CC(C)(C)C2CN(C(=O)Cc3c[nH]c4ccccc34)CC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
OPRK1 P41145 1/20 0.44
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
ICMT O60725 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8548651 0.89 DRD2 (0.47) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8783305 0.89 DRD2 (0.47) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8956646 0.89 DRD2 (0.47) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8873453 0.85 OPRK1 (0.48) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8874951 0.82 DRD2 (0.49) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8895210 0.81 FNTA (0.44) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8893638 0.81 DRD2 (0.46) DRD2DRD3KMT2AMEN1OPRK1
SCHEMBL8784611 0.81 FNTA (0.46) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8653172 0.80 OPRK1 (0.46) DRD2DRD3KMT2ALMNAMEN1
SCHEMBL8876006 0.80 DRD2 (0.48) DRD2DRD3KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed