SCHEMBL30195679

SCHEMBL30195679

NCCC(=O)Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.62
CYP3A4 P08684 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CHRNA7 P36544 1/20 0.56
CYP2A6 P11509 1/20 0.53
RECQL P46063 1/20 0.51
TBXAS1 P24557 8/20 0.50
HRH1 P35367 2/20 0.50
MAPT P10636 1/20 0.47

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
SCHEMBL28975712 1.00 NAPRT (0.62) NAPRTCYP3A4CYP1A2CYP2C9CHRNA7
SCHEMBL3253168 0.87 NAPRT (0.74) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL7430813 0.84 NAPRT (0.61) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL7280697 0.84 NAPRT (0.61) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL7362509 0.81 NAPRT (0.72) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL9433087 0.81 NAPRT (0.57) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL1538161 0.81 NAPRT (0.57) NAPRTCYP3A4CYP1A2CYP2C9TBXAS1
SCHEMBL23932686 0.81 CYP1A2 (0.63) NAPRTCYP3A4CYP1A2CYP2C9CHRNA7
SCHEMBL16198319 0.80 NAPRT (0.56) NAPRTCYP3A4CYP1A2CYP2C9RECQL
SCHEMBL10695581 0.80 TBXAS1 (0.60) NAPRTCYP3A4CYP1A2CYP2C9CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4144726-B1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER SHENZHEN ZINWI BIO TECH CO LTD (CN) 2024-10-02 EP claimed
CN-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 CN claimed
CN-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 CN disclosed
CN-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 CN disclosed
WO-2023284059-A1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER 深圳市真味生物科技有限公司 2023-01-19 WO disclosed
WO-2023284059-A1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER 深圳市真味生物科技有限公司 2023-01-19 WO disclosed