SCHEMBL8912102

SCHEMBL8912102

CCC12CCCC(CC(C(=O)O)C1)N2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
OPRK1 P41145 4/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8914322 0.80 S1PR5 (0.38) USP2HRH3LMNAS1PR1S1PR5
SCHEMBL8947196 0.71 KDM4E (0.45) LMNAL3MBTL1POLBPKMMAPT
SCHEMBL3748360 0.71 HRH3 (0.39) HRH3LMNAKMT2AL3MBTL1POLB
Hydrochloric Acid SCHEMBL30028945 0.70 LMNA (0.62) USP2LMNAOPRK1KMT2AL3MBTL1
SCHEMBL11094118 0.68 LMNA (0.56) LMNAS1PR1S1PR5OPRK1KMT2A
SCHEMBL7371335 0.68 LMNA (0.56) LMNAS1PR1S1PR5OPRK1KMT2A
Hydrochloric Acid SCHEMBL11098029 0.67 CHRM2 (0.56) USP2LMNAOPRK1KMT2AL3MBTL1
SCHEMBL22602392 0.66 OPRK1 (0.39) USP2HRH3OPRK1KMT2AL3MBTL1
SCHEMBL3252835 0.66 OPRK1 (0.54) OPRK1POLB
SCHEMBL3252831 0.66 OPRK1 (0.54) OPRK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 US disclosed
US-5422354-A Quinuclidine derivatives PFIZER INC (US) 1995-06-06 US disclosed
EP-0540526-B1 QUINUCLIDINE DERIVATIVES PFIZER (US) 1994-12-28 EP disclosed
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed