SCHEMBL31306205

SCHEMBL31306205

Cc1cccnc1-c1ccc(NC(=O)[C@@H](C)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.62
TAAR1 Q96RJ0 2/20 0.58
CIT O14578 1/20 0.50
LTA4H P09960 1/20 0.46
XIAP P98170 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31306355 0.85 TRPV1 (0.58) TRPV1TAAR1CITLTA4HNPC1
SCHEMBL31306287 0.78 TRPV1 (0.61) TRPV1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18573111 0.78 TRPV1 (0.80) TRPV1
SCHEMBL31306169 0.78 JAK2 (0.55) TRPV1KDM4E
SCHEMBL15244875 0.77 TAAR1 (0.86) TAAR1CITLTA4HXIAPSMN1; SMN2
SCHEMBL21480923 0.76 TRPV1 (0.61) TRPV1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1751436 0.75 TAAR1 (1.00) TAAR1CITLTA4HXIAPNPC1
SCHEMBL4652086 0.75 TAAR1 (1.00) TAAR1CITLTA4HXIAPNPC1
Hydrochloric Acid SCHEMBL27930494 0.74 TAAR1 (0.56) TAAR1CITLTA4HXIAPKDM4E
Hydrochloric Acid SCHEMBL16498368 0.74 AAK1 (0.69) TAAR1CITLTA4HXIAPTP53

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-4734979-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2025006723-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed