SCHEMBL8878800

SCHEMBL8878800

NC(=O)C(CC1CCNCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 12/20 0.59
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ CHRM2 P08172 10/20 0.45
▸ CHRM1 P11229 5/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CTDSP1 Q9GZU7 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
SCHEMBL10718310 0.83 CHRM3 (0.54) CHRM3LMNACYP2D6KMT2ACHRM2
Maleic Acid SCHEMBL10719202 0.78 CHRM3 (0.49) CHRM3LMNACYP2D6KMT2ACHRM2
SCHEMBL20556104 0.77 MEN1 (0.38) CHRM3LMNACYP2D6MEN1HRH1
SCHEMBL4756753 0.77 CHRM3 (0.50) CHRM3LMNACYP2D6KMT2ACHRM2
SCHEMBL8878260 0.76 CHRM3 (0.56) CHRM3
SCHEMBL4758054 0.76 CHRM3 (0.49) CHRM3LMNACYP2D6KMT2ACHRM2
SCHEMBL10516709 0.76 CYP2D6 (0.56) CHRM3LMNACYP2D6MEN1HRH1
SCHEMBL10467517 0.75 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL2341663 0.74 KCNH2 (0.56) CHRM3LMNACYP2D6MEN1KMT2A
SCHEMBL23777916 0.74 CHRM3 (0.97) CHRM3CHRM2CHRM1

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-5607950-A IRRITABLE BOWEL SYNDROME PFIZER INC. (US) 1997-03-04 — — US disclosed
EP-0508988-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-03-02 — — EP disclosed
WO-1991010647-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 — — WO disclosed
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