SCHEMBL14975558

SCHEMBL14975558

CCCCCCCCC(CCCC)Cc1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.36
TBXAS1 P24557 2/20 0.36
HTR1A P08908 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.35
TXN P10599 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TERT O14746 1/20 0.33

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
SCHEMBL22193265 1.00 TAAR1 (0.36) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL24872814 1.00 TAAR1 (0.36) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL9443992 0.98 TAAR1 (0.37) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL2037587 0.98 TAAR1 (0.37) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL11014678 0.97 TAAR1 (0.38) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL28406709 0.92 TXN (0.36) TAAR1TBXAS1HTR1ALMNACYP1A2
SCHEMBL7855900 0.92 TAAR1 (0.37) TAAR1TBXAS1HTR1ACYP1A2CYP3A4
SCHEMBL759997 0.89 TXN (0.38) TAAR1TBXAS1HTR1ACYP1A2CYP3A4
SCHEMBL9115726 0.87 TSHR (0.39) TAAR1TBXAS1HTR1ACYP1A2CYP3A4
SCHEMBL19185636 0.87 TBXAS1 (0.43) TAAR1TBXAS1HTR1ALMNACYP1A2

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-2013077989-A1 PROCESS FOR PREPARATION OF ALUMINUM SALT OF PHOSPHONIC ACID ESTER ICL-IP AMERICA INC. (US) 2013-05-30 WO claimed