SCHEMBL10906611

SCHEMBL10906611

CC(CCC(=O)O)N(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ NR4A2 P43354 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38

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
SCHEMBL10906601 0.76 GAA (0.49) LMNANPC1RAB9AHPGDGAA
SCHEMBL10906588 0.74 GABRP (0.43) LMNACYP1A2CHRNB2CHRNB4CHRNA4
SCHEMBL10906191 0.73 HSD11B1 (0.42) KMT2ALMNANPC1MAPTRAB9A
SCHEMBL28129663 0.73 FOLH1 (0.47) KMT2ANR4A2TDP1LMNAHSD17B10
SCHEMBL28129661 0.73 FOLH1 (0.47) KMT2ANR4A2TDP1LMNAHSD17B10
SCHEMBL9210808 0.72 ALDH1A1 (0.42) KMT2ANR4A2TDP1LMNAHSD17B10
SCHEMBL10906180 0.71 GABRP (0.41) CYP1A2CHRNB2CHRNB4CHRNA4
SCHEMBL9557591 0.71 ALDH1A1 (0.44) KMT2ALMNAMAPTRAB9AATM
SCHEMBL31170383 0.71 ADRA2B (0.59) KMT2ANPC1RAB9AATMALDH1A1
SCHEMBL27805530 0.71 TRPM8 (0.44) KMT2ANR4A2TDP1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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