SCHEMBL27906284

SCHEMBL27906284

O=CC1CC(c2ccccc2)CN1Cc1cnc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.39
▸ FNTA P49354 4/20 0.39
▸ FNTB P49356 4/20 0.39
▸ TAAR1 Q96RJ0 5/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL28038609 0.81 TACR1 (0.43) TACR1HRH3TAAR1CHRM3SIGMAR1
SCHEMBL28046374 0.77 HPGD (0.48) S1PR1SIGMAR1
SCHEMBL28929394 0.77 TRPV6 (0.45) CYP3A4CYP2C9KDM1ASIGMAR1
SCHEMBL27889766 0.73 KDM4B (0.33) —
SCHEMBL5052610 0.72 HPGD (0.60) FNTAFNTBTAAR1CHRM3
SCHEMBL27474231 0.71 HRH3 (0.60) HRH3CHRM3SIGMAR1
SCHEMBL27889765 0.71 DRD4 (0.40) —
Hydrochloric Acid SCHEMBL27408448 0.70 HRH3 (0.59) HRH3CHRM3SIGMAR1
SCHEMBL27653211 0.69 TBXAS1 (0.39) CYP3A4CYP2D6
SCHEMBL27889785 0.69 DRD4 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109662961-A For improving the method and composition of cognitive function 约翰斯霍普金斯大学 2019-04-23 — — CN disclosed
CN-109662964-A For improving the method and composition of cognitive function 约翰斯.霍普金斯大学 2019-04-23 — — CN disclosed
CN-105142623-A Methods and compositions for improving cognitive function AGENEBIO INC 2015-12-09 — — CN disclosed
CN-103476255-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-12-25 — — CN disclosed
CN-102905532-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-01-30 — — CN disclosed
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