SCHEMBL9142116

SCHEMBL9142116

OC(CSc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
MAPT P10636 1/20 0.57
IGF1R P08069 1/20 0.56
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR7 P34969 1/20 0.50
CYP2D6 P10635 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL9142663 0.91 MAPT (0.68) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL11719282 0.89 MAPT (0.68) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL4578627 0.89 MAPT (0.68) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL9142228 0.88 MAPT (0.60) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL9140220 0.83 MAPT (0.55) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL9572466 0.82 MAPT (0.60) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL7279486 0.82 MAPT (0.51) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL9142386 0.81 MAPT (0.53) KMT2AMEN1MAPTGAA
Hydrochloric Acid SCHEMBL11590808 0.81 MAPT (0.59) KMT2AMEN1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL11591663 0.81 MAPT (0.58) KMT2AMEN1MAPTCYP2D6ALDH1A1

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
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US disclosed
EP-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP disclosed
EP-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed