SCHEMBL22254890

SCHEMBL22254890

Cc1ccc(CCN(C)C2CCC(N)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 9/20 0.52
▸ CHIT1 Q13231 8/20 0.52
▸ CHI3L1 P36222 1/20 0.45
▸ CHI3L2 Q15782 1/20 0.45
▸ GRIN2B Q13224 2/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR2A P28223 1/20 0.38
▸ SPHK1 Q9NYA1 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1967611 0.92 CHIA (0.54) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL16360093 0.83 HRH3 (0.53) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL25541904 0.83 CHIA (0.55) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1968987 0.78 CHIA (0.54) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL27817743 0.76 HTR2A (0.49) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1242233 0.76 TAAR1 (0.60) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1969047 0.76 TAAR1 (0.60) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL27817745 0.76 CHIT1 (0.63) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1967143 0.75 GRIN2B (0.63) CHIAGRIN2BTAAR1HTR2ASLC18A3
SCHEMBL1966648 0.73 TAAR1 (0.47) CHIACHIT1CHI3L1CHI3L2GRIN2B

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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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