SCHEMBL10592159

SCHEMBL10592159

O=C(O)c1cc2c(n1Cc1ccccc1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
FABP4 P15090 4/20 0.50
GPR35 Q9HC97 1/20 0.49
FABP3 P05413 2/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRD4 O60885 1/20 0.45
SLC2A1 P11166 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
NOTUM Q6P988 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL12584599 0.87 CCR2 (0.53) CCR2FABP4LMNAHTTSMN1; SMN2
SCHEMBL7947056 0.85 CCR2 (0.55) CCR2LMNARAB9A
SCHEMBL7052102 0.83 CCR2 (0.56) CCR2
SCHEMBL9098048 0.83 MAPT (0.55) TSHRLMNASMN1; SMN2BRD4CNR1
SCHEMBL1006638 0.78 GPR35 (0.44) GPR35TSHRLMNARAB9ACNR1
SCHEMBL12951908 0.78 CCR2 (0.51) CCR2FABP4GPR35FABP3TSHR
SCHEMBL10865148 0.77 SMN1; SMN2 (0.49) FABP4FABP3TSHRLMNAHTT
SCHEMBL28546405 0.76 PKN1 (0.48) FABP4TSHRLMNAHTTRAB9A
SCHEMBL6333151 0.74 PLA2G2A (0.50) CCR2FABP4FABP3
SCHEMBL9436526 0.73 TSHR (0.44) FABP4TSHRLMNABRD4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831157-A OCRAHYDROCYCLOPENTA(B)PYRROLE-2-CARBOXYLATE SCHERING CORPORATION (US) 1989-05-16 US disclosed
EP-0190224-A1 PROCESS FOR THE PREPARATION OF CIS, ENDOOCTAHYDROCYCLOPENTA [b] PYRROLE-2-CARBOXYLATE SCHERING CORPORATION (US) 1986-08-13 EP disclosed
US-4587258-A HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1986-05-06 US disclosed
WO-1986000896-A1 NOVEL PROCESS FOR THE PREPARATION OF CIS, ENDOOCTAHYDROCYCLOPENTA ADb BDPYRROLE-2-CARBOXYLATE SCHERING CORPORATION (US) 1986-02-13 WO disclosed