Sugi Predict

Sugi Predict / Compounds / SCHEMBL9767697

SCHEMBL9767697

SCHEMBL9767697

Clc1ccc(C(c2ccccc2)C2C(NCc3ccccc3)C3CCN2CC3)cc1Cl.FC(F)(F)c1cccc(C(c2ccccc2)C2C(NCc3ccccc3)C3CCN2CC3)c1.c1ccc(CNC2C3CCN(CC3)C2C(c2ccccc2)c2ccco2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.59
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ NPC1 O15118 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL9324098 0.86 TACR1 (0.79) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9324096 0.86 TACR1 (0.79) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9324104 0.86 TACR1 (0.79) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9322748 0.84 TACR1 (0.78) TACR1NPC1MTORRAB9A
SCHEMBL9322752 0.84 TACR1 (0.78) TACR1NPC1MTORRAB9A
SCHEMBL9322741 0.84 TACR1 (0.78) TACR1NPC1MTORRAB9A
SCHEMBL9321847 0.82 TACR1 (0.78) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9321849 0.82 TACR1 (0.78) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9321842 0.82 TACR1 (0.78) TACR1MRGPRX1NPC1MTORRAB9A
SCHEMBL9322544 0.81 TACR1 (0.84) TACR1MRGPRX1NPC1MTORRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 — — EP disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 — — WO disclosed