SCHEMBL6153200

SCHEMBL6153200

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.69
▸ MAPT P10636 1/20 0.67
▸ EPHX2 P34913 1/20 0.67
▸ CNR1 P21554 1/20 0.66
▸ CNR2 P34972 1/20 0.66
▸ NAMPT P43490 1/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.59
▸ HPGDS O60760 1/20 0.59
▸ FAAH O00519 1/20 0.58
▸ GAA P10253 1/20 0.57

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
SCHEMBL14306236 0.98 MAPT (0.69) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL4559682 0.95 MAPT (0.73) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL2097739 0.86 MAPT (0.59) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL10253402 0.86 CNR2 (0.88) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL3072567 0.86 MAPT (0.59) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL6764534 0.84 NAMPT (0.61) MAPTEPHX2CNR1CNR2NAMPT
SCHEMBL655599 0.84 POLB (0.63) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL28363944 0.84 SMN1; SMN2 (0.70) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL15134839 0.84 EPHX2 (0.69) KMT2AMAPTEPHX2CNR1CNR2
SCHEMBL10253447 0.84 CNR2 (0.78) MAPTEPHX2CNR1CNR2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403139-B2 Methods and compositions for prevention and treatment of cardiac hypertrophy UNIVERSITY OF HAWAII (US) 2025-09-02 — — US disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 — — EP disclosed
US-20240189303-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII 2024-06-13 — — US disclosed
WO-2023229378-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 — — WO disclosed
EP-4269394-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2023-11-01 — — EP disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 — — CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 — — EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 — — WO disclosed
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