SCHEMBL9688391

SCHEMBL9688391

CNCCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 8/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ NCF1 P14598 1/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP1A2 P05177 3/20 0.46
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL2913941 0.82 PDE10A (0.61) PDE10ANCF1CYP1A2CYSLTR2CYSLTR1
SCHEMBL14352218 0.81 PDE10A (0.46) PDE10AALDH1A1CYP1A2CYSLTR2CYSLTR1
SCHEMBL2924050 0.81 NCF1 (0.53) PDE10ANCF1LMNACYP1A2CYSLTR2
SCHEMBL30331437 0.81 NCF1 (0.46) PDE10ANCF1LMNACYP1A2CYSLTR2
SCHEMBL24197398 0.81 NCF1 (0.46) PDE10ANCF1LMNACYP1A2CYSLTR2
SCHEMBL22493232 0.81 PDE10A (0.47) PDE10ANCF1CYP1A2CYSLTR2CYSLTR1
SCHEMBL29858122 0.80 HTT (0.55) ALDH1A1CYP1A2
SCHEMBL19385987 0.80 HTT (0.55) ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7830119 0.79 NCF1 (0.52) PDE10ANCF1LMNACYP1A2CYSLTR2
SCHEMBL725176 0.79 PDE10A (0.54) PDE10AALDH1A1CYP1A2CYSLTR2CYSLTR1

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
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 — — US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 — — US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 — — US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 — — EP disclosed
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