SCHEMBL6599770

SCHEMBL6599770

CCOC(=O)N[C@@H](Cc1ccccc1)CN1CCC(C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR8 P51685 1/20 0.44
LTA4H P09960 1/20 0.44
CAPN1 P07384 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL27524304 0.81 FPR2 (0.59) GAACYP2C19SMN1; SMN2CAPN1ALDH1A1
SCHEMBL6585220 0.81 FPR2 (0.59) GAACYP2C19SMN1; SMN2CAPN1ALDH1A1
SCHEMBL6588325 0.77 CTRB1 (0.57)
SCHEMBL5362231 0.75 GRIN2D (0.57) GAACYP2C19SMN1; SMN2LTA4HNPC1
SCHEMBL18065507 0.75 MMEL1 (0.54) SMN1; SMN2LTA4HALDH1A1MEN1KMT2A
SCHEMBL16692005 0.75 MMEL1 (0.54) SMN1; SMN2LTA4HALDH1A1MEN1KMT2A
SCHEMBL7569039 0.75 CTRB1 (0.49) CYP2C19SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7569030 0.75 CTRB1 (0.49) CYP2C19SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7569034 0.75 CTRB1 (0.49) CYP2C19SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7361852 0.75 CTRB1 (0.64)

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
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed